# ##################################################################################################
#  Disclaimer                                                                                      #
#  This file is a python3 translation of AutoDockTools (v.1.5.7)                                   #
#  Modifications made by Valdes-Tresanco MS (https://github.com/Valdes-Tresanco-MS)                #
#  Tested by Valdes-Tresanco-MS and Valdes-Tresanco ME                                             #
#  There is no guarantee that it works like the original distribution,                             #
#  but feel free to tell us if you get any difference to correct the code.                         #
#                                                                                                  #
#  Please use this cite the original reference.                                                    #
#  If you think my work helps you, just keep this note intact on your program.                     #
#                                                                                                  #
#  Modification date: 4/7/20 5:48                                                                  #
#                                                                                                  #
# ##################################################################################################

opls_uni_dat = {
    "PHU": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD1', 'CE1', 'CZ', 'CE2', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CE1": {'torsion': 180.0, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 120.0, 'blen': 1.4,
                    'charge': 0.0, 'type': 'CD'},
            "CD1": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 120.0, 'blen': 1.4,
                    'charge': 0.0, 'type': 'CD'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "CZ": {'torsion': 0.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 120.0, 'blen': 1.4,
                   'charge': 0.0, 'type': 'CD'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.0, 'type': 'CA'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CE2": {'torsion': 0.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4,
                    'charge': 0.0, 'type': 'CD'},
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.4,
                    'charge': 0.0, 'type': 'CD'},
            "NAMRES": 'PHENYLALANINE, UNITED ATOM AROMATIC PARAMETERS',
            },
    "ASN": {"ND2": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 10, 'angle': 116.6, 'blen': 1.335,
                    'charge': -0.85, 'type': 'N'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'OD1', 'ND2', 'HND1', 'HND2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "OD1": {'torsion': 0.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CB', 'ND2', 'CG', 'OD1'], ['CG', 'HND1', 'ND2', 'HND2']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 111.1, 'blen': 1.522,
                   'charge': 0.5, 'type': 'C'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HND1": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.425, 'type': 'H'},
            "HND2": {'torsion': 180.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.425, 'type': 'H'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'ASPARAGINE',
            },
    "HIP": {"NE2": {'torsion': 0.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 13, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.54, 'type': 'NA'},
            "ND1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.54, 'type': 'NA'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CG', 'CE1', 'ND1', 'HND'], ['CE1', 'CD2', 'NE2', 'HNE']],
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CG', 'CD2']],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 9, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 110.0, 'blen': 1.36,
                    'charge': 0.215, 'type': 'CK'},
            "NAMRES": 'HISTIDINE PLUS, ALL ATOM AROMATIC PARAMETERS',
            "HE": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.115, 'type': 'HK'},
            "HD": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 15, 'I': 16, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.115, 'type': 'HK'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'ND1', 'HND', 'CE1', 'HE', 'NE2', 'HNE', 'CD2', 'HD', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.385, 'type': 'CK'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 18, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.215, 'type': 'CK'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.115, 'type': 'C2'},
            "HND": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 126.0, 'blen': 1.01,
                    'charge': 0.46, 'type': 'H'},
            "HNE": {'torsion': 180.0, 'tree': 'E', 'NC': 9, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 125.0, 'blen': 1.01,
                    'charge': 0.46, 'type': 'H'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 17, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            },
    "TYU": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD1', 'CE1', 'CZ', 'OH', 'HOH', 'CE2', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "HOH": {'torsion': 0.0, 'tree': 'E', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 113.0, 'blen': 0.96,
                    'charge': 0.435, 'type': 'HO'},
            "CE1": {'torsion': 180.0, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 120.0, 'blen': 1.4,
                    'charge': 0.0, 'type': 'CD'},
            "CD1": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 120.0, 'blen': 1.4,
                    'charge': 0.0, 'type': 'CD'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "CZ": {'torsion': 0.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 120.0, 'blen': 1.4,
                   'charge': 0.265, 'type': 'CA'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.51,
                   'charge': 0.0, 'type': 'CA'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OH": {'torsion': 180.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.36,
                   'charge': -0.7, 'type': 'OH'},
            "CE2": {'torsion': 0.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 14, 'angle': 120.0, 'blen': 1.4,
                    'charge': 0.0, 'type': 'CD'},
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 10, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.4,
                    'charge': 0.0, 'type': 'CD'},
            "NAMRES": 'TYROSINE, UNITED ATOM AROMATIC PARAMETERS',
            },
    "WT3": {"HW1": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.0,
                    'charge': 0.417, 'type': 'HT'},
            "INTX,KFORM": ['INT', '1'],
            "atNameList": ['HW1', 'OW', 'HW2'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HW2": {'torsion': -151.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 104.52, 'blen': 0.9572,
                    'charge': 0.417, 'type': 'HT'},
            "CUT": ['0.00000'],
            "OW": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 104.52, 'blen': 0.9572,
                   'charge': -0.834, 'type': 'OT'},
            "NAMRES": 'WATER, TIP3P MODEL',
            },
    "ACE": {"INTX,KFORM": ['INT', '1'],
            "atNameList": ['CH3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
            "CH3": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0,
                    'charge': 0.0, 'type': 'C3'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'NOMI', 'DU', 'BEG'],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['CH3', '+M', 'C', 'O']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 111.1, 'blen': 1.53,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'ACE BEGINNING GROUP',
            },
    "LEU": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD1', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CD1', 'CG', 'CB', 'CD2']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CD2": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.0, 'type': 'C3'},
            "CD1": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.0, 'type': 'C3'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.0, 'type': 'CZ'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'LEUCINE',
            },
    "HID": {"HE": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.115, 'type': 'HK'},
            "HD": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.115, 'type': 'HK'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'ND1', 'HND', 'CE1', 'HE', 'NE2', 'CD2', 'HD', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NE2": {'torsion': 0.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 13, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.49, 'type': 'NB'},
            "ND1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.57, 'type': 'NA'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.295, 'type': 'CK'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CG', 'CE1', 'ND1', 'HND']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.015, 'type': 'CK'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.115, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CG', 'CD2']],
            "HND": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 126.0, 'blen': 1.01,
                    'charge': 0.42, 'type': 'H'},
            "CUT": ['0.00000'],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 9, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 110.0, 'blen': 1.36,
                    'charge': -0.015, 'type': 'CK'},
            "NAMRES": 'HISTIDINE DELTAH, ALL ATOM AROMATIC PARAMETERS',
            },
    "HIE": {"HE": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.115, 'type': 'HK'},
            "HD": {'torsion': 180.0, 'tree': 'E', 'NC': 10, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.115, 'type': 'HK'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'ND1', 'CE1', 'HE', 'NE2', 'HNE', 'CD2', 'HD', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NE2": {'torsion': 0.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 12, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.57, 'type': 'NA'},
            "ND1": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.49, 'type': 'NB'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.295, 'type': 'CK'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CE1', 'CD2', 'NE2', 'HNE']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': -0.015, 'type': 'CK'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.115, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CG', 'CD2']],
            "HNE": {'torsion': 180.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 12, 'I': 13, 'angle': 125.0, 'blen': 1.01,
                    'charge': 0.42, 'type': 'H'},
            "CUT": ['0.00000'],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 12, 'I': 14, 'angle': 110.0, 'blen': 1.36,
                    'charge': 0.015, 'type': 'CK'},
            "NAMRES": 'HISTIDINE EPSILONH, ALL ATOM AROMATIC PARAMETERS',
            },
    "MET": {"SD": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 110.0, 'blen': 1.81,
                   'charge': -0.47, 'type': 'S'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'SD', 'CE', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.235, 'type': 'CQ'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CE": {'torsion': 180.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 100.0, 'blen': 1.78,
                   'charge': 0.235, 'type': 'CW'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'METHIONINE',
            },
    "IDBGEN,IREST,ITYPF": ['1', '1', '3'],
    "ALA": {"atNameList": ['N', 'HN', 'CA', 'CB', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C3'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'ALANINE',
            },
    "PHE": {"impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "INTX,KFORM": ['INT', '1'],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 13, 'NA': 15, 'I': 17, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.115, 'type': 'CK'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.115, 'type': 'HK'},
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.115, 'type': 'HK'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.115, 'type': 'HK'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 15, 'I': 16, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.115, 'type': 'HK'},
            "NAMRES": 'PHENYLALANINE, ALL ATOM AROMATIC PARAMETERS',
            "CD1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.115, 'type': 'CK'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'HZ', 'CE2', 'HE2', 'CD2',
                           'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.115, 'type': 'CK'},
            "CE2": {'torsion': 0.0, 'tree': 'B', 'NC': 9, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.115, 'type': 'CK'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "CZ": {'torsion': 0.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 13, 'angle': 120.0, 'blen': 1.4,
                   'charge': -0.115, 'type': 'CK'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': -0.115, 'type': 'CK'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.115, 'type': 'C2'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "HZ": {'torsion': 180.0, 'tree': 'E', 'NC': 9, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.115, 'type': 'HK'},
            },
    "AME": {"CT": {'torsion': 180.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CW'},
            "INTX,KFORM": ['INT', '1'],
            "atNameList": ['NT', 'HN', 'CT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "CUT": ['0.00000'],
            "NT": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                   'charge': -0.57, 'type': 'N'},
            "NAMRES": 'TERMINAL METHYL AMIDE, OPLS MODEL',
            },
    "CYX": {"atNameList": ['N', 'HN', 'CA', 'CB', 'SG', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "SG": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 116.0, 'blen': 1.81,
                   'charge': -0.3, 'type': 'S'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.3, 'type': 'CQ'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 9, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'CYSTINE(S-S BRIDGE)',
            },
    "PRO": {"atNameList": ['N', 'CD', 'CG', 'CB', 'CA', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CUT": ['0.00000'],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'], ['-M', 'CA', 'N', 'CD']],
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 117.0, 'blen': 1.337,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 200.1, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 103.2, 'blen': 1.5,
                   'charge': 0.0, 'type': 'C2'},
            "CA": {'torsion': 175.2, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 8, 'angle': 120.6, 'blen': 1.451,
                   'charge': 0.285, 'type': 'CH'},
            "CB": {'torsion': 338.3, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 7, 'angle': 106.0, 'blen': 1.51,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CB', 'CA']],
            "CD": {'torsion': 356.1, 'tree': 'S', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 126.1, 'blen': 1.458,
                   'charge': 0.285, 'type': 'CQ'},
            "C": {'torsion': 0.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'PROLINE',
            },
    "DAL": {"atNameList": ['N', 'HN', 'CA', 'CB', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C3'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'D-ALANINE',
            },
    "LYS": {"HNZ3": {'torsion': 300.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.01,
                     'charge': 0.33, 'type': 'H3'},
            "HNZ2": {'torsion': 180.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 109.47, 'blen': 1.01,
                     'charge': 0.33, 'type': 'H3'},
            "HNZ1": {'torsion': 60.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 109.47, 'blen': 1.01,
                     'charge': 0.33, 'type': 'H3'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD', 'CE', 'NZ', 'HNZ1', 'HNZ2', 'HNZ3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 16, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CD": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "NZ": {'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 109.47, 'blen': 1.47,
                   'charge': -0.3, 'type': 'N3'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CE": {'torsion': 180.0, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.31, 'type': 'C2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 15, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'LYSINE',
            },
    "NAMDBF": 'db4.dat',
    "SER": {"OG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.43,
                   'charge': -0.7, 'type': 'OH'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'OG', 'HOG', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 10, 'I': 11, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.265, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 10, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "HOG": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.47, 'blen': 0.96,
                    'charge': 0.435, 'type': 'HO'},
            "NAMRES": 'SERINE',
            },
    "ASP": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'OD1', 'OD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "OD1": {'torsion': 90.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.8, 'type': 'O2'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CB', 'OD1', 'CG', 'OD2']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.7, 'type': 'C'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.1, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OD2": {'torsion': 270.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 10, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.8, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'ASPARTIC ACID',
            },
    "GLN": {"OE1": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.5, 'type': 'O'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD', 'OE1', 'NE2', 'HNE1', 'HNE2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NE2": {'torsion': 180.0, 'tree': 'B', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 116.6, 'blen': 1.335,
                    'charge': -0.85, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CD": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.522,
                   'charge': 0.5, 'type': 'C'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CG', 'NE2', 'CD', 'OE1'], ['CD', 'HNE1', 'NE2', 'HNE2']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "HNE2": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 13, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.425, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HNE1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.425, 'type': 'H'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'GLUTAMINE',
            },
    "GLU": {"OE1": {'torsion': 90.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.8, 'type': 'O2'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD', 'OE1', 'OE2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CD": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.7, 'type': 'C'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CG', 'OE1', 'CD', 'OE2']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.51,
                   'charge': -0.1, 'type': 'C2'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "OE2": {'torsion': 270.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.8, 'type': 'O2'},
            "NAMRES": 'GLUTAMIC ACID',
            },
    "OME": {"INTX,KFORM": ['INT', '1'],
            "atNameList": ['OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.8, 'type': 'O2'},
            "CUT": ['0.00000'],
            "NAMRES": 'O MINUS END ATOM',
            },
    "TRP": {"NE1": {'torsion': 180.0, 'tree': 'B', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 107.0, 'blen': 1.43,
                    'charge': -0.57, 'type': 'NA'},
            "CE3": {'torsion': 0.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 20, 'angle': 122.0, 'blen': 1.41,
                    'charge': -0.115, 'type': 'CK'},
            "HZ2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.115, 'type': 'HK'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CD1', 'CE2', 'NE1', 'HNE'], ['CE2', 'CH2', 'CZ2', 'HZ1'], ['CZ2', 'CZ3', 'CH2', 'HH'],
                           ['CH2', 'CE3', 'CZ3', 'HZ2'], ['CZ3', 'CD2', 'CE3', 'HE']],
            "HZ1": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.115, 'type': 'HK'},
            "CH2": {'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 116.0, 'blen': 1.39,
                    'charge': -0.115, 'type': 'CK'},
            "INTX,KFORM": ['INT', '1'],
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.115, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CG', 'CD2'], ['CE2', 'CD2']],
            "NAMRES": 'TRYPTOPHAN, ALL ATOM AROMATIC PARAMETERS',
            "HE": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 20, 'I': 21, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.115, 'type': 'HK'},
            "HD": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.115, 'type': 'HK'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD1', 'HD', 'NE1', 'HNE', 'CE2', 'CZ2', 'HZ1', 'CH2', 'HH',
                           'CZ3', 'HZ2', 'CE3', 'HE', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 20, 'I': 22, 'angle': 117.0, 'blen': 1.4,
                    'charge': -0.055, 'type': 'CB'},
            "CD1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 127.0, 'blen': 1.34,
                    'charge': 0.015, 'type': 'CK'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "HH": {'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.115, 'type': 'HK'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 24, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': -0.17, 'type': 'CK'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CZ3": {'torsion': 0.0, 'tree': 'B', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 121.0, 'blen': 1.35,
                    'charge': -0.115, 'type': 'CK'},
            "CZ2": {'torsion': 180.0, 'tree': 'B', 'NC': 9, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 128.0, 'blen': 1.4,
                    'charge': -0.115, 'type': 'CK'},
            "CE2": {'torsion': 0.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 13, 'angle': 109.0, 'blen': 1.31,
                    'charge': 0.13, 'type': 'CN'},
            "HNE": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 125.5, 'blen': 1.01,
                    'charge': 0.42, 'type': 'H'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 23, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            },
    "filename": 'opls_uni.in',
    "TRU": {"NE1": {'torsion': 180.0, 'tree': 'B', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 107.0, 'blen': 1.43,
                    'charge': -0.57, 'type': 'NA'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "CH2": {'torsion': 180.0, 'tree': 'S', 'NC': 10, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 116.0, 'blen': 1.39,
                    'charge': 0.0, 'type': 'CD'},
            "CZ2": {'torsion': 180.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 12, 'I': 13, 'angle': 128.0, 'blen': 1.4,
                    'charge': 0.0, 'type': 'CD'},
            "INTX,KFORM": ['INT', '1'],
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CG', 'CD2'], ['CE2', 'CD2']],
            "NAMRES": 'TRYPTOPHAN, UNITED ATOM AROMATIC PARAMETERS',
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD1', 'NE1', 'HNE', 'CE2', 'CZ2', 'CH2', 'CZ3', 'CE3', 'CD2',
                           'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 15, 'NA': 16, 'I': 17, 'angle': 117.0, 'blen': 1.4,
                    'charge': -0.055, 'type': 'CB'},
            "CD1": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 127.0, 'blen': 1.34,
                    'charge': 0.13, 'type': 'CG'},
            "CE3": {'torsion': 0.0, 'tree': 'S', 'NC': 13, 'NB': 14, 'NA': 15, 'I': 16, 'angle': 122.0, 'blen': 1.41,
                    'charge': 0.0, 'type': 'CD'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 19, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': -0.055, 'type': 'C*'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CZ3": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 121.0, 'blen': 1.35,
                    'charge': 0.0, 'type': 'CD'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "CE2": {'torsion': 0.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 12, 'angle': 109.0, 'blen': 1.31,
                    'charge': 0.13, 'type': 'CN'},
            "HNE": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 125.5, 'blen': 1.01,
                    'charge': 0.42, 'type': 'H'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 18, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            },
    "ARG": {"impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['NE', 'NH1', 'CZ', 'NH2']],
            "NH1": {'torsion': 0.0, 'tree': 'B', 'NC': 9, 'NB': 10, 'NA': 12, 'I': 13, 'angle': 122.0, 'blen': 1.33,
                    'charge': -0.8, 'type': 'N2'},
            "HN12": {'torsion': 180.0, 'tree': 'E', 'NC': 10, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.46, 'type': 'H3'},
            "INTX,KFORM": ['INT', '1'],
            "NE": {'torsion': 180.0, 'tree': 'B', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 111.0, 'blen': 1.48,
                   'charge': -0.7, 'type': 'N2'},
            "HN11": {'torsion': 0.0, 'tree': 'E', 'NC': 10, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.46, 'type': 'H3'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HN22": {'torsion': 180.0, 'tree': 'E', 'NC': 10, 'NB': 12, 'NA': 16, 'I': 18, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.46, 'type': 'H3'},
            "HN21": {'torsion': 0.0, 'tree': 'E', 'NC': 10, 'NB': 12, 'NA': 16, 'I': 17, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.46, 'type': 'H3'},
            "NAMRES": 'ARGININE',
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD', 'NE', 'HNE', 'CZ', 'NH1', 'HN11', 'HN12', 'NH2', 'HN21',
                           'HN22', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NH2": {'torsion': 180.0, 'tree': 'B', 'NC': 9, 'NB': 10, 'NA': 12, 'I': 16, 'angle': 118.0, 'blen': 1.33,
                    'charge': -0.8, 'type': 'N2'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "CZ": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 12, 'angle': 123.0, 'blen': 1.33,
                   'charge': 0.64, 'type': 'C4'},
            "CD": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.31, 'type': 'C2'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.07, 'type': 'C2'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "HNE": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 118.5, 'blen': 1.01,
                    'charge': 0.44, 'type': 'H3'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            },
    "GLY": {"atNameList": ['N', 'HN', 'CA', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CQ'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 110.4, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'GLYCINE',
            },
    "HPU": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'ND1', 'HND', 'CE1', 'NE2', 'HNE', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NE2": {'torsion': 0.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.54, 'type': 'NA'},
            "ND1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.54, 'type': 'NA'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 16, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CE1": {'torsion': 180.0, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.5, 'type': 'CP'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 15, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.33, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CG', 'CD2']],
            "HND": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 126.0, 'blen': 1.01,
                    'charge': 0.46, 'type': 'H'},
            "HNE": {'torsion': 180.0, 'tree': 'E', 'NC': 9, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 125.0, 'blen': 1.01,
                    'charge': 0.46, 'type': 'H'},
            "CUT": ['0.00000'],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 9, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 110.0, 'blen': 1.36,
                    'charge': 0.33, 'type': 'CG'},
            "NAMRES": 'HISTIDINE PLUS, UNITED ATOM AROMATIC PARAMETERS',
            },
    "TYR": {"O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 21, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "INTX,KFORM": ['INT', '1'],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 13, 'NA': 16, 'I': 18, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.115, 'type': 'CK'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OH": {'torsion': 180.0, 'tree': 'S', 'NC': 9, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 120.0, 'blen': 1.36,
                   'charge': -0.585, 'type': 'OH'},
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.115, 'type': 'HK'},
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.115, 'type': 'HK'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.115, 'type': 'HK'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.115, 'type': 'HK'},
            "NAMRES": 'TYROSINE, ALL ATOM AROMATIC PARAMETERS',
            "CD1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.115, 'type': 'CK'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'OH', 'HOH', 'CE2', 'HE2',
                           'CD2', 'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.115, 'type': 'CK'},
            "CE2": {'torsion': 0.0, 'tree': 'B', 'NC': 9, 'NB': 11, 'NA': 13, 'I': 16, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.115, 'type': 'CK'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "CZ": {'torsion': 0.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 13, 'angle': 120.0, 'blen': 1.4,
                   'charge': 0.15, 'type': 'CK'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "HOH": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 113.0, 'blen': 0.96,
                    'charge': 0.435, 'type': 'HO'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.51,
                   'charge': -0.115, 'type': 'CK'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.115, 'type': 'C2'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 20, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            },
    "CYS": {"atNameList": ['N', 'HN', 'CA', 'CB', 'SG', 'HSG', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "SG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 116.0, 'blen': 1.81,
                   'charge': -0.45, 'type': 'SH'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 10, 'I': 11, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.18, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HSG": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 96.0, 'blen': 1.33,
                    'charge': 0.27, 'type': 'HS'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 10, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'CYSTEINE',
            },
    "THR": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG2', 'OG1', 'HOG', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CG2', 'CB', 'CA', 'OG1']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "OG1": {'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 9, 'angle': 109.47, 'blen': 1.43,
                    'charge': -0.7, 'type': 'OH'},
            "CG2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.0, 'type': 'C3'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'B', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.265, 'type': 'CZ'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "HOG": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 0.96,
                    'charge': 0.435, 'type': 'HO'},
            "NAMRES": 'THREONINE',
            },
    "VAL": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG1', 'CG2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CG1": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.0, 'type': 'C3'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 10, 'I': 11, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CG1', 'CB', 'CA', 'CG2']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG2": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 9, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.0, 'type': 'C3'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'B', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'CZ'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 10, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'VALINE',
            },
    "WT4": {"HW1": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.0,
                    'charge': 0.52, 'type': 'H4'},
            "INTX,KFORM": ['INT', '1'],
            "atNameList": ['HW1', 'OW', 'HW2', 'M'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "M": {'torsion': -151.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 52.26, 'blen': 0.15,
                  'charge': -1.04, 'type': 'M4'},
            "HW2": {'torsion': -151.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 104.52, 'blen': 0.9572,
                    'charge': 0.52, 'type': 'H4'},
            "CUT": ['0.00000'],
            "OW": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 104.52, 'blen': 0.9572,
                   'charge': 0.0, 'type': 'O4'},
            "NAMRES": 'WATER, TIP4P MODEL',
            },
    "ILE": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG2', 'CG1', 'CD1', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CG2', 'CB', 'CA', 'CG1']],
            "CG1": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 9, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.0, 'type': 'C2'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CD1": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.0, 'type': 'CV'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG2": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.0, 'type': 'C3'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'B', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.0, 'type': 'CZ'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "NAMRES": 'ISOLEUCINE',
            },
    "HDU": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'ND1', 'HND', 'CE1', 'NE2', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NE2": {'torsion': 0.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.49, 'type': 'NB'},
            "ND1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.57, 'type': 'NA'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CE1": {'torsion': 180.0, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.41, 'type': 'CP'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.13, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CG', 'CD2']],
            "HND": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 126.0, 'blen': 1.01,
                    'charge': 0.42, 'type': 'H'},
            "CUT": ['0.00000'],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 9, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 110.0, 'blen': 1.36,
                    'charge': 0.1, 'type': 'CF'},
            "NAMRES": 'HISTIDINE DELTAH, UNITED ATOM AROMATIC PARAMETERS',
            },
    "HEU": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'ND1', 'CE1', 'NE2', 'HNE', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NE2": {'torsion': 0.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.57, 'type': 'NA'},
            "ND1": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.49, 'type': 'NB'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CE1": {'torsion': 180.0, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.41, 'type': 'CP'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.37, 'type': 'H'},
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5, 'type': 'C'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.57, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.1, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.2, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CG', 'CD2']],
            "HNE": {'torsion': 180.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 125.0, 'blen': 1.01,
                    'charge': 0.42, 'type': 'H'},
            "CUT": ['0.00000'],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 110.0, 'blen': 1.36,
                    'charge': 0.13, 'type': 'CG'},
            "NAMRES": 'HISTIDINE EPSILONH, UNITED ATOM AROMATIC PARAMETERS',
            },
}
